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HoTm

Alexandria ALEX

Alex-ID: agm007999225 · Space group: Cm (#8)

Basic Information

Formula
HoTm
Alex-ID
agm007999225
Elements
2
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
184.31
ų
Cell a
6.6018
Å
Cell b
6.6018
Å
Cell c
8.3264
Å
α angle
77.79
°
β angle
77.79
°
γ angle
31.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
HoTm
Ho
3.00 · 50.0%
Tm
3.00 · 50.0%

Energy & Stability

Energy above hull
0.0060
eV/atom
Formation energy
-0.0005
eV/atom
Corrected total energy
-27.1529
eV
Raw total energy
-27.1529
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0086
eV
DOS at Fermi level
10.2712
Total magnetisation
-0.0004
μB

Additional Information

Prototype ID

AB_1502_spg8

Decomposition

HoTm2 Ho7Tm2

Computed at

2024-05-04 05:39:53.675133

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007999225).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007999225
data_agm007999225
_cell_length_a     6.60176
_cell_length_b     6.60176
_cell_length_c     8.32637
_cell_angle_alpha  77.79494
_cell_angle_beta   77.79494
_cell_angle_gamma  31.37344
_cell_volume       184.31467
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ho1 Ho 0.99957 0.99957 0.99991 1.00000
  Ho2 Ho 0.61153 0.61153 0.27832 1.00000
  Ho3 Ho 0.66675 0.66675 0.66604 1.00000
  Tm1 Tm 0.33381 0.33381 0.33368 1.00000
  Tm2 Tm 0.94381 0.94381 0.61129 1.00000
  Tm3 Tm 0.27786 0.27786 0.94409 1.00000
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